Abstract
The structures and electronic properties of a series small mixed aluminum boron clusters AlBn- and Al2Bn- (n=1−9) have been investigated systematically with the density functional approach. Results show that the ground state prefers the lowest spin state except Al2B- and the Al atom tends to be adsorbed at the surface in both boron–aluminum systems. Moreover, results about the stability indicate clusters AlB8- and Al2B7- have the considerable enhanced stability among the clusters of AlBn- and Al2Bn- (n=1−9). Besides, the electronic and magnetic properties for two systems are also investigated, and the total magnetic moments as a function of cluster size show a dramatic odd–even alternative behavior for clusters AlBn-, while the addition of one more Al atom makes the total magnetic moments of the clusters Al2Bn- contrary except n=1.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
